SMILES:
CSCC[C@H](NC(=O)[C@H](NC(=O)COc1ccc([C@@H]2[C@@H](SCC(O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1)C(C)C)C(=O)OMolecular Processing
Molecular formula
C35H39F2N3O7S2
Molecular weight
715.84
Exact mass
715.2197
XLogP
4.73
TPSA
145.27
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
49
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.371
Molar refractivity
185.5
Supplementary Information
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